⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8572589 | 1.00 | — | — | |
| SCHEMBL8572592 | 1.00 | — | — | |
| SCHEMBL9385084 | 0.75 | PTPN2 (0.41) | — | |
| SCHEMBL9384724 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL6698297 | 0.72 | — | — | |
| SCHEMBL4362122 | 0.67 | — | — | |
| SCHEMBL9385642 | 0.67 | HSD11B1 (0.33) | — | |
| SCHEMBL8573400 | 0.65 | — | — | |
| SCHEMBL8567107 | 0.65 | — | — | |
| SCHEMBL9225533 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676393-B1 | Cyclic ketones and their use in perfumery | FIRMENICH & CIE (CH) | 1998-08-19 | — | — | EP | disclosed |
| EP-0676393-A1 | Cyclic ketones and their use in perfumery | FIRMENICH SA (CH) | 1995-10-11 | — | — | EP | disclosed |
| EP-0449034-B1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH & CIE (CH) | 1994-12-28 | — | — | EP | disclosed |
| US-5118865-A | CYCLIC KETONES AND THEIR USE AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 1992-06-02 | — | — | US | disclosed |
| EP-0449034-A1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH SA (CH) | 1991-10-02 | — | — | EP | disclosed |